N-(furan-2-ylmethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-furylmethyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-furanylmethyl)-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-furfuryl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CO3)SC4=CC=CC=C41

InChI

InChI=1S/C22H20N2O2S/c1-2-6-18-17-8-3-4-9-20(17)27-21-11-10-15(13-19(21)24-18)22(25)23-14-16-7-5-12-26-16/h3-5,7-13H,2,6,14H2,1H3,(H,23,25)